* LIGAND DATABASE FILE (OPLS2005)
*
001      73    76    143    239     430
    1     0 S   NP   _N1_     1    28.66881    94.56156   -21.54638
    2     1 S   H    _HN1     2     1.02828    28.93477   160.26067
    3     1 S   H    _H1_     3     1.02777    92.67613   -76.21702
    4     1 S   H    _H2_     4     1.02963    89.63393    32.08920
    5     1 S   CT   _CA1     5     1.50125   139.58813   154.06573
    6     5 S   HC   _HA1     6     1.09577   105.23804    62.38322
    7     5 S   CO3  _C1_     7     1.53786   112.35326   -57.79400
    8     7 S   O2Z  _O11     8     1.26356   115.01580   -44.73608
    9     7 S   O2Z  _O12     9     1.26243   114.91019   134.40737
   10     5 S   CT   _CB1    10     1.53081   107.38755  -179.77794
   11    10 S   HC   HB11    11     1.09824   109.27862   -51.31248
   12    10 S   HC   HB12    12     1.09824   110.42382    65.19646
   13    10 S   CT   _CG1    13     1.53009   112.72450  -172.47334
   14    13 S   HC   HG11    14     1.09599   110.36866   -63.55301
   15    13 S   HC   HG12    15     1.09643   110.07952    55.68938
   16    13 S   C    _CD1    16     1.51805   112.23780   175.93606
   17    16 S   O    _OE1    17     1.22730   123.23657    -5.79458
   18    16 S   N    _N2_    18     1.38649   111.69606   174.63389
   19    18 S   H    _HN2    19     1.01584   119.09840     1.22749
   20    18 S   CT1  _CA2    20     1.46177   123.26483  -179.20402
   21    20 S   HC   _HA2    21     1.09742   109.30560    -8.76255
   22    20 S   C    _C2_    22     1.53463   108.66279  -124.36215
   23    22 S   O    _O2_    23     1.23026   122.14901  -147.64847
   24    20 S   CT   _CB2    32     1.53530   111.64398   113.01540
   25    24 S   HC   HB21    33     1.09533   109.67998    56.68797
   26    24 S   HC   HB22    34     1.09386   109.96398   175.22217
   27    22 S   N    _N3_    24     1.38479   113.48040    39.84530
   28    27 S   H    _HN3    25     1.01519   118.90400    -0.86547
   29    24 S   S    _SG2    35     1.83336   111.41551   -63.38362
   30    27 S   CT   _CA3    26     1.45458   123.57024   175.08538
   31    30 S   HC   HA31    27     1.09514   109.39141    21.40044
   32    30 S   HC   HA32    28     1.09499   107.08613   138.42608
   33    29 S   CT   _C14    36     1.90372   101.45861  -160.38245
   34    30 S   CO3  _C3_    29     1.52914   112.99981  -102.18353
   35    34 S   O2Z  _O31    30     1.26413   115.36036   -45.49875
   36    34 S   O2Z  _O32    31     1.26349   115.01428   135.41024
   37    33 S   CO4  _C5_    37     1.50787    99.34797   -65.83259
   38    37 S   O    _O17    38     1.21779   128.57915    92.11724
   39    33 S   CT   _C13    55     1.51672   101.91124    79.06418
   40    39 S   HC   _H31    56     1.09448   115.62089   -31.67904
   41    37 S   OS   _O19    39     1.40392   105.73314   -82.87340
   42    39 S   OH   _O20    57     1.41597   112.99193  -152.95495
   43    42 S   HO   _H38    58     0.97254   107.67749  -172.55571
   44    41 S   CT   _C12    40     1.44919   109.38169   -30.66916
   45    44 S   HC   _H30    41     1.09495   103.60942  -116.19500
   46    44 S   CT   _C11    42     1.54148   119.30540   127.01865
   47    46 S   HC   _H29    43     1.09454   110.97820    60.29675
   48    46 S   CT   _C10    44     1.53995   110.76619  -173.29574
   49    48 S   HC   _H28    45     1.10480   106.41752  -177.15401
   50    48 S   CT   _C9_    46     1.55950    97.97581    72.98354
   51    50 S   HC   _H27    47     1.09509   110.21860   162.72949
   52    48 S   CM   _C7_    66     1.51518   118.68409   -61.08584
   53    50 S   CO4  _C4_    48     1.50380    96.10129    48.72716
   54    53 S   O    _O16    49     1.22011   126.21545   145.96127
   55    50 S   CT   _C16    51     1.55795   114.89642   -68.90964
   56    52 S   CM   _C6_    67     1.34246   123.67339   146.54161
   57    56 S   HC   _H23    68     1.08560   121.36764   176.79167
   58    56 S   HC   _H24    69     1.08277   122.29977    -0.85729
   59    52 S   CT   _C17    70     1.50789   116.77236   -40.84904
   60    59 S   HC   _H32    71     1.09518   110.15739   -49.97743
   61    59 S   HC   _H33    72     1.09254   111.41724    70.54567
   62    59 S   HC   _H34    73     1.09563   112.15909  -169.26813
   63    46 S   OS   _O18    50     1.43813   113.88010   -61.29044
   64    55 S   CT   _C8_    52     1.56839   120.42350   160.51429
   65    64 S   HC   _H25    53     1.09590   112.11698   110.67351
   66    64 S   HC   _H26    54     1.09472   110.05579    -9.26260
   67    33 S   CT   _C15    59     1.57282   127.37139  -168.58751
   68    55 S   OH   _O21    64     1.43486   105.64427   -81.41441
   69    68 S   HO   _H39    65     0.97291   108.05828   -65.12062
   70    67 S   CT   _C18    60     1.58137   113.62903   172.48477
   71    70 S   HC   _H35    61     1.09249   113.74167    73.11482
   72    70 S   HC   _H36    62     1.09490   112.85243   -49.41937
   73    70 S   HC   _H37    63     1.09787   110.17660  -168.56529
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  12   5   4   3
  21   2   1   1  12   4  13   7   9   6   1  17   7  14   7  18
   8  15   8  10   6   2  11   6   2   1   3   2   1   1   1   6
   3   2   6   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    67    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    44    55    64    39    40    42    67    70  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    44    45    46    50    55    64    65    66    39    40    42    43    67    70    71    72    73    68  
   35    36  
   36  
    0  
   38    41    44    45    46    55    64    39    40    42    67    70  
   41    44    39    67  
   40    42    43    67    70    68    41    44    50    55    64    65    66  
   42    43    67    55    64    65    66  
   44    45    46    47    48    63    55    67    70  
   43    67    55    64    65    66  
   64  
   45    46    47    48    49    50    53    63    55    64    67    70    71    72    73    68    52  
   46    47    48    63    55    67    70  
   47    48    49    50    51    53    54    63    55    67    70    52    56    59  
   48    49    50    53    63    67    52  
   49    50    51    53    54    63    55    64    67    68    52    56    57    58    59    60    61    62  
   50    51    53    63    55    52    56    59  
   51    53    54    63    55    64    65    66    67    70    68    69    52    56    59  
   53    54    63    55    64    67    68    52  
   56    57    58    59    60    61    62    53    55    63  
   54    63    55    64    67    68  
   63    55  
   64    65    66    67    70    71    72    73    68    69    63  
   57    58    59    60    61    62  
   58    59  
   59  
   60    61    62  
   61    62  
   62  
    0  
   67  
   65    66    67    70    68    69  
   66    67    68  
   67    68  
   70    71    72    73    68    69  
   69    70  
    0  
   71    72    73  
   72    73  
   73  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   42   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   52   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   56   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   57   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   68   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.522
   33    39   268.000  1.529
   33    67   268.000  1.529
   37    38   570.000  1.229
   37    41   214.000  1.327
   41    44   320.000  1.410
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    67   268.000  1.529
   46    47   340.000  1.090
   46    48   268.000  1.529
   46    63   320.000  1.410
   48    49   340.000  1.090
   48    50   268.000  1.529
   48    52   317.000  1.510
   50    51   340.000  1.090
   50    53   317.000  1.522
   50    55   268.000  1.529
   53    54   570.000  1.229
   53    63   214.000  1.327
   55    64   268.000  1.529
   55    67   268.000  1.529
   55    68   320.000  1.410
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    39   268.000  1.529
   39    40   340.000  1.090
   39    42   320.000  1.410
   42    43   553.000  0.945
   67    70   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   68    69   553.000  0.945
   52    56   549.000  1.340
   52    59   317.000  1.510
   56    57   340.000  1.080
   56    58   340.000  1.080
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  110.18000
   29    33    39    75.00000  111.63000
   29    33    67    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    41    81.00000  111.40000
   33    39    64    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    42    50.00000  109.50000
   33    67    44    58.35000  112.70000
   33    67    55    58.35000  112.70000
   33    67    70    58.35000  112.70000
   37    41    44    83.00000  116.90000
   41    37    38    83.00000  123.40000
   41    44    45    35.00000  109.50000
   41    44    46    50.00000  109.50000
   41    44    67    50.00000  109.50000
   44    46    47    37.50000  110.70000
   44    46    48    58.35000  112.70000
   44    46    63    50.00000  109.50000
   44    67    55    58.35000  112.70000
   44    67    70    58.35000  112.70000
   46    44    45    37.50000  110.70000
   46    48    49    37.50000  110.70000
   46    48    50    58.35000  112.70000
   46    48    52    70.00000  112.02700
   46    63    53    83.00000  116.90000
   48    46    47    37.50000  110.70000
   48    50    51    37.50000  110.70000
   48    50    53    63.00000  111.10000
   48    50    55    58.35000  112.70000
   48    52    56    70.00000  124.00000
   48    52    59    65.00000  117.92700
   50    48    49    37.50000  110.70000
   50    53    54    80.00000  120.40000
   50    53    63    81.00000  111.40000
   50    55    64    58.35000  112.70000
   50    55    67    58.35000  112.70000
   50    55    68    50.00000  109.50000
   53    50    51    35.00000  109.50000
   63    46    47    35.00000  109.50000
   63    46    48    50.00000  109.50000
   63    53    54    83.00000  123.40000
   55    50    51    37.50000  110.70000
   55    50    53    63.00000  111.10000
   55    64    65    37.50000  110.70000
   55    64    66    37.50000  110.70000
   55    64    39    58.35000  112.70000
   55    67    70    58.35000  112.70000
   55    68    69    55.00000  108.50000
   64    39    40    37.50000  110.70000
   64    39    42    50.00000  109.50000
   66    64    65    33.00000  107.80000
   39    33    37    63.00000  111.10000
   39    64    65    37.50000  110.70000
   39    64    66    37.50000  110.70000
   39    42    43    55.00000  108.50000
   42    39    40    35.00000  109.50000
   67    33    37    63.00000  111.10000
   67    33    39    58.35000  112.70000
   67    44    45    37.50000  110.70000
   67    44    46    58.35000  112.70000
   67    55    64    58.35000  112.70000
   67    70    71    37.50000  110.70000
   67    70    72    37.50000  110.70000
   67    70    73    37.50000  110.70000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   68    55    64    50.00000  109.50000
   68    55    67    50.00000  109.50000
   52    48    49    35.00000  109.50000
   52    48    50    70.00000  112.02700
   52    56    57    35.00000  120.00000
   52    56    58    35.00000  120.00000
   52    59    60    35.00000  109.50000
   52    59    61    35.00000  109.50000
   52    59    62    35.00000  109.50000
   58    56    57    35.00000  117.00000
   59    52    56    70.00000  124.00000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   24    29    33    67   0.01700  1.0 1.0
   24    29    33    67  -0.23550 -1.0 2.0
   24    29    33    67   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.30150 -1.0 2.0
   29    33    37    41   0.40000  1.0 3.0
   29    33    39    64   0.44750  1.0 1.0
   29    33    39    64  -0.17800 -1.0 2.0
   29    33    39    64   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    42   0.56750  1.0 1.0
   29    33    39    42  -0.07550 -1.0 2.0
   29    33    39    42   0.20000  1.0 3.0
   29    33    67    44   0.44750  1.0 1.0
   29    33    67    44  -0.17800 -1.0 2.0
   29    33    67    44   0.20200  1.0 3.0
   29    33    67    55   0.44750  1.0 1.0
   29    33    67    55  -0.17800 -1.0 2.0
   29    33    67    55   0.20200  1.0 3.0
   29    33    67    70   0.44750  1.0 1.0
   29    33    67    70  -0.17800 -1.0 2.0
   29    33    67    70   0.20200  1.0 3.0
   33    37   -41    44   1.63150  1.0 1.0
   33    37   -41    44   2.92000 -1.0 2.0
   33    39    42    43  -0.11600  1.0 1.0
   33    39    42    43  -0.09450 -1.0 2.0
   33    39    42    43   0.21250  1.0 3.0
   33    67    70    71   0.15000  1.0 3.0
   33    67    70    72   0.15000  1.0 3.0
   33    67    70    73   0.15000  1.0 3.0
   37    33    39    64  -0.95700  1.0 1.0
   37    33    39    64  -0.18200 -1.0 2.0
   37    33    39    64   0.29450  1.0 3.0
   37    33    39    40  -0.11250  1.0 3.0
   37    33    39    42  -0.09450  1.0 1.0
   37    33    39    42  -1.12950 -1.0 2.0
   37    33    39    42   0.54000  1.0 3.0
   37    33   -67    44  -0.95700  1.0 1.0
   37    33   -67    44  -0.18200 -1.0 2.0
   37    33   -67    44   0.29450  1.0 3.0
   37    33    67    55  -0.95700  1.0 1.0
   37    33    67    55  -0.18200 -1.0 2.0
   37    33    67    55   0.29450  1.0 3.0
   37    33    67    70  -0.95700  1.0 1.0
   37    33    67    70  -0.18200 -1.0 2.0
   37    33    67    70   0.29450  1.0 3.0
   37    41    44    45   0.08050  1.0 3.0
   37    41    44    46  -0.25900  1.0 1.0
   37    41    44    46  -0.47000 -1.0 2.0
   37    41    44    46   0.11750  1.0 3.0
   37    41   -44    67  -0.25900  1.0 1.0
   37    41   -44    67  -0.47000 -1.0 2.0
   37    41   -44    67   0.11750  1.0 3.0
   38    37    41    44   3.00000 -1.0 2.0
   41    44    46    47   0.23400  1.0 3.0
   41    44    46    48   0.62750  1.0 1.0
   41    44    46    48  -0.30950 -1.0 2.0
   41    44    46    48   0.27300  1.0 3.0
   41    44    46    63   1.11900  1.0 1.0
   41    44    46    63  -1.16350 -1.0 2.0
   41    44    46    63  -0.34150  1.0 3.0
   41    44   -67    33   0.62750  1.0 1.0
   41    44   -67    33  -0.30950 -1.0 2.0
   41    44   -67    33   0.27300  1.0 3.0
   41    44    67    55   0.62750  1.0 1.0
   41    44    67    55  -0.30950 -1.0 2.0
   41    44    67    55   0.27300  1.0 3.0
   41    44    67    70   0.62750  1.0 1.0
   41    44    67    70  -0.30950 -1.0 2.0
   41    44    67    70   0.27300  1.0 3.0
   44    46    48    49   0.15000  1.0 3.0
   44    46    48    50   0.56750  1.0 1.0
   44    46    48    50  -0.07550 -1.0 2.0
   44    46    48    50   0.20000  1.0 3.0
   44    46    48    52   0.34400  1.0 1.0
   44    46    48    52   0.09450 -1.0 2.0
   44    46    48    52   0.11100  1.0 3.0
   44    46    63    53  -0.25900  1.0 1.0
   44    46    63    53  -0.47000 -1.0 2.0
   44    46    63    53   0.11750  1.0 3.0
   44    67    70    71   0.15000  1.0 3.0
   44    67    70    72   0.15000  1.0 3.0
   44    67    70    73   0.15000  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    48   0.15000  1.0 3.0
   45    44    46    63   0.23400  1.0 3.0
   45    44    67    33   0.15000  1.0 3.0
   45    44    67    55   0.15000  1.0 3.0
   45    44    67    70   0.15000  1.0 3.0
   46    44    67    33   0.56750  1.0 1.0
   46    44    67    33  -0.07550 -1.0 2.0
   46    44    67    33   0.20000  1.0 3.0
   46    44    67    55   0.56750  1.0 1.0
   46    44    67    55  -0.07550 -1.0 2.0
   46    44    67    55   0.20000  1.0 3.0
   46    44    67    70   0.56750  1.0 1.0
   46    44    67    70  -0.07550 -1.0 2.0
   46    44    67    70   0.20000  1.0 3.0
   46    48    50    51   0.15000  1.0 3.0
   46    48   -50    53  -0.95700  1.0 1.0
   46    48   -50    53  -0.18200 -1.0 2.0
   46    48   -50    53   0.29450  1.0 3.0
   46    48   -50    55   0.56750  1.0 1.0
   46    48   -50    55  -0.07550 -1.0 2.0
   46    48   -50    55   0.20000  1.0 3.0
   46    48    52    56   0.09850  1.0 1.0
   46    48    52    56   0.15250 -1.0 2.0
   46    48    52    56  -0.50650  1.0 3.0
   46    48    52    59   0.46850  1.0 1.0
   46    48    52    59   0.08550 -1.0 2.0
   46    48    52    59   0.09800  1.0 3.0
   47    46    48    49   0.15000  1.0 3.0
   47    46    48    50   0.15000  1.0 3.0
   47    46    48    52   0.15000  1.0 3.0
   47    46    63    53   0.08050  1.0 3.0
   48    46   -63    53  -0.25900  1.0 1.0
   48    46   -63    53  -0.47000 -1.0 2.0
   48    46   -63    53   0.11750  1.0 3.0
   48    50    53    54   0.30150 -1.0 2.0
   48    50   -53    63   0.36750  1.0 3.0
   48    50    55    64   0.56750  1.0 1.0
   48    50    55    64  -0.07550 -1.0 2.0
   48    50    55    64   0.20000  1.0 3.0
   48    50    55    67   0.56750  1.0 1.0
   48    50    55    67  -0.07550 -1.0 2.0
   48    50    55    67   0.20000  1.0 3.0
   48    50    55    68   0.86500  1.0 1.0
   48    50    55    68  -0.17500 -1.0 2.0
   48    50    55    68   0.20800  1.0 3.0
   48    52    56    57   7.00000 -1.0 2.0
   48    52    56    58   7.00000 -1.0 2.0
   48    52    59    60   0.34800  1.0 3.0
   48    52    59    61   0.34800  1.0 3.0
   48    52    59    62   0.34800  1.0 3.0
   49    48    50    51   0.15000  1.0 3.0
   49    48    50    53  -0.11250  1.0 3.0
   49    48    50    55   0.15000  1.0 3.0
   49    48    52    56   0.00000  1.0 1.0
   49    48    52    59   0.34800  1.0 3.0
   50    48    52    56   0.09850  1.0 1.0
   50    48    52    56   0.15250 -1.0 2.0
   50    48    52    56  -0.50650  1.0 3.0
   50    48    52    59   0.46850  1.0 1.0
   50    48    52    59   0.08550 -1.0 2.0
   50    48    52    59   0.09800  1.0 3.0
   50    53   -63    46   1.63150  1.0 1.0
   50    53   -63    46   2.92000 -1.0 2.0
   50    55    64    65   0.15000  1.0 3.0
   50    55    64    66   0.15000  1.0 3.0
   50    55    64    39   0.56750  1.0 1.0
   50    55    64    39  -0.07550 -1.0 2.0
   50    55    64    39   0.20000  1.0 3.0
   50    55    67    33   0.56750  1.0 1.0
   50    55    67    33  -0.07550 -1.0 2.0
   50    55    67    33   0.20000  1.0 3.0
   50    55   -67    44   0.56750  1.0 1.0
   50    55   -67    44  -0.07550 -1.0 2.0
   50    55   -67    44   0.20000  1.0 3.0
   50    55    67    70   0.56750  1.0 1.0
   50    55    67    70  -0.07550 -1.0 2.0
   50    55    67    70   0.20000  1.0 3.0
   50    55    68    69  -0.11600  1.0 1.0
   50    55    68    69  -0.09450 -1.0 2.0
   50    55    68    69   0.21250  1.0 3.0
   51    50    53    54   0.00000  1.0 1.0
   51    50    53    63   0.00000  1.0 1.0
   51    50    55    64   0.15000  1.0 3.0
   51    50    55    67   0.15000  1.0 3.0
   51    50    55    68   0.23400  1.0 3.0
   53    50    55    64  -0.95700  1.0 1.0
   53    50    55    64  -0.18200 -1.0 2.0
   53    50    55    64   0.29450  1.0 3.0
   53    50    55    67  -0.95700  1.0 1.0
   53    50    55    67  -0.18200 -1.0 2.0
   53    50    55    67   0.29450  1.0 3.0
   53    50    55    68  -0.09450  1.0 1.0
   53    50    55    68  -1.12950 -1.0 2.0
   53    50    55    68   0.54000  1.0 3.0
   54    53    63    46   3.00000 -1.0 2.0
   63    46    48    49   0.23400  1.0 3.0
   63    46   -48    50   0.62750  1.0 1.0
   63    46   -48    50  -0.30950 -1.0 2.0
   63    46   -48    50   0.27300  1.0 3.0
   63    46    48    52   0.61850  1.0 1.0
   63    46    48    52  -0.22750 -1.0 2.0
   63    46    48    52   0.15300  1.0 3.0
   55    50    53    54   0.30150 -1.0 2.0
   55    50    53    63   0.36750  1.0 3.0
   55    64   -39    33   0.56750  1.0 1.0
   55    64   -39    33  -0.07550 -1.0 2.0
   55    64   -39    33   0.20000  1.0 3.0
   55    64    39    40   0.15000  1.0 3.0
   55    64    39    42   0.86500  1.0 1.0
   55    64    39    42  -0.17500 -1.0 2.0
   55    64    39    42   0.20800  1.0 3.0
   55    67    70    71   0.15000  1.0 3.0
   55    67    70    72   0.15000  1.0 3.0
   55    67    70    73   0.15000  1.0 3.0
   64    55   -67    33   0.56750  1.0 1.0
   64    55   -67    33  -0.07550 -1.0 2.0
   64    55   -67    33   0.20000  1.0 3.0
   64    55    67    44   0.56750  1.0 1.0
   64    55    67    44  -0.07550 -1.0 2.0
   64    55    67    44   0.20000  1.0 3.0
   64    55    67    70   0.56750  1.0 1.0
   64    55    67    70  -0.07550 -1.0 2.0
   64    55    67    70   0.20000  1.0 3.0
   64    55    68    69  -0.11600  1.0 1.0
   64    55    68    69  -0.09450 -1.0 2.0
   64    55    68    69   0.21250  1.0 3.0
   64    39    42    43  -0.11600  1.0 1.0
   64    39    42    43  -0.09450 -1.0 2.0
   64    39    42    43   0.21250  1.0 3.0
   65    64    39    33   0.15000  1.0 3.0
   65    64    39    40   0.15000  1.0 3.0
   65    64    39    42   0.23400  1.0 3.0
   66    64    39    33   0.15000  1.0 3.0
   66    64    39    40   0.15000  1.0 3.0
   66    64    39    42   0.23400  1.0 3.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    41   0.36750  1.0 3.0
   39    33    67    44   0.56750  1.0 1.0
   39    33    67    44  -0.07550 -1.0 2.0
   39    33    67    44   0.20000  1.0 3.0
   39    33   -67    55   0.56750  1.0 1.0
   39    33   -67    55  -0.07550 -1.0 2.0
   39    33   -67    55   0.20000  1.0 3.0
   39    33    67    70   0.56750  1.0 1.0
   39    33    67    70  -0.07550 -1.0 2.0
   39    33    67    70   0.20000  1.0 3.0
   40    39    42    43   0.19450  1.0 3.0
   67    33    37    38   0.30150 -1.0 2.0
   67    33   -37    41   0.36750  1.0 3.0
   67    33   -39    64   0.56750  1.0 1.0
   67    33   -39    64  -0.07550 -1.0 2.0
   67    33   -39    64   0.20000  1.0 3.0
   67    33    39    40   0.15000  1.0 3.0
   67    33    39    42   0.86500  1.0 1.0
   67    33    39    42  -0.17500 -1.0 2.0
   67    33    39    42   0.20800  1.0 3.0
   67    44    46    47   0.15000  1.0 3.0
   67    44   -46    48   0.56750  1.0 1.0
   67    44   -46    48  -0.07550 -1.0 2.0
   67    44   -46    48   0.20000  1.0 3.0
   67    44    46    63   0.62750  1.0 1.0
   67    44    46    63  -0.30950 -1.0 2.0
   67    44    46    63   0.27300  1.0 3.0
   67    55    64    65   0.15000  1.0 3.0
   67    55    64    66   0.15000  1.0 3.0
   67    55   -64    39   0.56750  1.0 1.0
   67    55   -64    39  -0.07550 -1.0 2.0
   67    55   -64    39   0.20000  1.0 3.0
   67    55    68    69  -0.11600  1.0 1.0
   67    55    68    69  -0.09450 -1.0 2.0
   67    55    68    69   0.21250  1.0 3.0
   68    55    64    65   0.23400  1.0 3.0
   68    55    64    66   0.23400  1.0 3.0
   68    55    64    39   0.86500  1.0 1.0
   68    55    64    39  -0.17500 -1.0 2.0
   68    55    64    39   0.20800  1.0 3.0
   68    55    67    33   0.86500  1.0 1.0
   68    55    67    33  -0.17500 -1.0 2.0
   68    55    67    33   0.20800  1.0 3.0
   68    55    67    44   0.86500  1.0 1.0
   68    55    67    44  -0.17500 -1.0 2.0
   68    55    67    44   0.20800  1.0 3.0
   68    55    67    70   0.86500  1.0 1.0
   68    55    67    70  -0.17500 -1.0 2.0
   68    55    67    70   0.20800  1.0 3.0
   52    48    50    51   0.15000  1.0 3.0
   52    48    50    53  -0.98800  1.0 1.0
   52    48    50    53   0.48800 -1.0 2.0
   52    48    50    53   0.76800  1.0 3.0
   52    48    50    55   0.34400  1.0 1.0
   52    48    50    55   0.09450 -1.0 2.0
   52    48    50    55   0.11100  1.0 3.0
   56    52    59    60   0.00000  1.0 1.0
   56    52    59    61   0.00000  1.0 1.0
   56    52    59    62   0.00000  1.0 1.0
   59    52    56    57   7.00000 -1.0 2.0
   59    52    56    58   7.00000 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   33    41    37    38  10.50000 -1.0 2.0
   50    63    53    54  10.50000 -1.0 2.0
   48    59    52    56  15.00000 -1.0 2.0
   57    58    56    52  15.00000 -1.0 2.0
END
